1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane

C13H22O2 — CID 160741819

IUPAC1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane
SMILESC#CCCOCC1CCC(COC)CC1
InChIInChI=1S/C13H22O2/c1-3-4-9-15-11-13-7-5-12(6-8-13)10-14-2/h1,12-13H,4-11H2,2H3
InChIKeyRVRMLOALLQUGNC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.48
Rot. Bonds6

About 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane

1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane (PubChem CID 160741819) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane
PubChem CID160741819
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane
SMILESC#CCCOCC1CCC(COC)CC1
InChIInChI=1S/C13H22O2/c1-3-4-9-15-11-13-7-5-12(6-8-13)10-14-2/h1,12-13H,4-11H2,2H3
InChIKeyRVRMLOALLQUGNC-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-Bis(ethoxymethyl)cyclohexane
CID 565573
3,3-Dimethylbut-1-ynoxymethylcyclohexane
CID 10943386
Hex-1-ynoxymethylcyclohexane
CID 14970146
3-Methylpent-1-ynoxymethylcyclohexane
CID 14970147
Prop-2-ynoxymethylcyclohexane
CID 12739794
1-Methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-ynyl]cyclohexane
CID 14554398
1,4-Bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
1,4-Bis(methoxymethyl)cyclohexane
CID 20580452
1-(Butoxymethyl)-4-methylcyclohexane
CID 21137231
1-(Ethoxymethyl)-4-methylcyclohexane
CID 21137255
1-Methyl-4-(2-methylpropoxymethyl)cyclohexane
CID 21137264
1-Methyl-4-(propoxymethyl)cyclohexane
CID 21137290

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane?
The IUPAC name of 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane (CID 160741819) is 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane is C#CCCOCC1CCC(COC)CC1.
What is the InChIKey of 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane?
The InChIKey is RVRMLOALLQUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-9-15-11-13-7-5-12(6-8-13)10-14-2/h1,12-13H,4-11H2,2H3.
What are the key properties of 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane?
1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane has a molecular weight of 210.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-ynoxymethyl)-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 160741819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).